(3R,4S)-1-acetyl-4-formylpiperidine-3-carbohydrazide

C9H15N3O3 — CID 90130895

IUPAC(3R,4S)-1-acetyl-4-formylpiperidine-3-carbohydrazide
SMILESCC(=O)N1CC[C@H](C=O)[C@@H](C(=O)NN)C1
InChIInChI=1S/C9H15N3O3/c1-6(14)12-3-2-7(5-13)8(4-12)9(15)11-10/h5,7-8H,2-4,10H2,1H3,(H,11,15)/t7-,8+/m1/s1
InChIKeyRICUVVMNMIJYOX-SFYZADRCSA-N
MW213.24 g/mol
LogP-1.34
Rot. Bonds2

About (3R,4S)-1-acetyl-4-formylpiperidine-3-carbohydrazide

(3R,4S)-1-acetyl-4-formylpiperidine-3-carbohydrazide (PubChem CID 90130895) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is (3R,4S)-1-acetyl-4-formylpiperidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R,4S)-1-acetyl-4-formylpiperidine-3-carbohydrazide
PubChem CID90130895
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name(3R,4S)-1-acetyl-4-formylpiperidine-3-carbohydrazide
SMILESCC(=O)N1CC[C@H](C=O)[C@@H](C(=O)NN)C1
InChIInChI=1S/C9H15N3O3/c1-6(14)12-3-2-7(5-13)8(4-12)9(15)11-10/h5,7-8H,2-4,10H2,1H3,(H,11,15)/t7-,8+/m1/s1
InChIKeyRICUVVMNMIJYOX-SFYZADRCSA-N
XLogP-1.34
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-acetyl-4-formylpiperidine-3-carbohydrazide?
The IUPAC name of (3R,4S)-1-acetyl-4-formylpiperidine-3-carbohydrazide (CID 90130895) is (3R,4S)-1-acetyl-4-formylpiperidine-3-carbohydrazide.
What is the SMILES notation for (3R,4S)-1-acetyl-4-formylpiperidine-3-carbohydrazide?
The canonical SMILES for (3R,4S)-1-acetyl-4-formylpiperidine-3-carbohydrazide is CC(=O)N1CC[C@H](C=O)[C@@H](C(=O)NN)C1.
What is the InChIKey of (3R,4S)-1-acetyl-4-formylpiperidine-3-carbohydrazide?
The InChIKey is RICUVVMNMIJYOX-SFYZADRCSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(14)12-3-2-7(5-13)8(4-12)9(15)11-10/h5,7-8H,2-4,10H2,1H3,(H,11,15)/t7-,8+/m1/s1.
What are the key properties of (3R,4S)-1-acetyl-4-formylpiperidine-3-carbohydrazide?
(3R,4S)-1-acetyl-4-formylpiperidine-3-carbohydrazide has a molecular weight of 213.24 g/mol, XLogP of -1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-acetyl-4-formylpiperidine-3-carbohydrazide is sourced from PubChem (CID 90130895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).